2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine

C17H24N2S — CID 66385138

IUPAC2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
SMILESCC(C)c1ccc(NCc2sccc2N)c(C(C)C)c1
InChIInChI=1S/C17H24N2S/c1-11(2)13-5-6-16(14(9-13)12(3)4)19-10-17-15(18)7-8-20-17/h5-9,11-12,19H,10,18H2,1-4H3
InChIKeyWMTQXGOVPPYMQD-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.19
Rot. Bonds5

About 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine

2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine (PubChem CID 66385138) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
PubChem CID66385138
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
SMILESCC(C)c1ccc(NCc2sccc2N)c(C(C)C)c1
InChIInChI=1S/C17H24N2S/c1-11(2)13-5-6-16(14(9-13)12(3)4)19-10-17-15(18)7-8-20-17/h5-9,11-12,19H,10,18H2,1-4H3
InChIKeyWMTQXGOVPPYMQD-UHFFFAOYSA-N
XLogP5.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
N-[(5-chlorothiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693536
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
2-[(4-bromo-2-chloroanilino)methyl]thiophen-3-amine
CID 66384918
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 102832541
2-[(2,5-difluoroanilino)methyl]thiophen-3-amine
CID 66387497
N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693574
2,4-di(propan-2-yl)-N-(pyrimidin-4-ylmethyl)aniline
CID 62759112
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine (CID 66385138) is 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine is CC(C)c1ccc(NCc2sccc2N)c(C(C)C)c1.
What is the InChIKey of 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine?
The InChIKey is WMTQXGOVPPYMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11(2)13-5-6-16(14(9-13)12(3)4)19-10-17-15(18)7-8-20-17/h5-9,11-12,19H,10,18H2,1-4H3.
What are the key properties of 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine?
2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine has a molecular weight of 288.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).